4-phenethyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-phenethyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenethyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-phenethyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenethyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenethyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1H-1,2,4-triazole-5-thione Formula: C19H21N3S2 MolecularWeight: 355.52014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C3=NNC(=S)N3CCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C3=NNC(=S)N3CCC4=CC=CC=C4

InChI

InChI=1S/C19H21N3S2/c23-19-21-20-18(22(19)12-11-14-7-3-1-4-8-14)17-13-15-9-5-2-6-10-16(15)24-17/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,21,23)